1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
|
$Basis = 6-311G*
$Elements supported
$H He Li Be B C N O F Ne Na Mg Al Si P S Cl Ar Br I
$
$ REFERENCE
$Elements References
$-------- ----------
$H, Li - Ne: R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople,
$ J. Chem. Phys. 72, 650 (1980)
$Na - Ar: A.D. McLean and G.S. Chandler J. Chem. Phys. 72, 5639, (1980).
$K - Ca: J-P. Blaudeau, M. P. McGrath, L.A. Curtiss and L. Radom,
$ J. Chem. Phys. 107, 5016 (1997).
$Ga - Kr: L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis,
$ R. C. Binning, Jr. L. Radom, J. Chem. Phys. 103, 6104 (1995).
$I : M.N. Glukhovstev, A. pross, M.P. McGrath, L. Radom, J. Chem. Phys.
$ 103, 1878 (1995)
$
$ POLARIZATION AND/OR DIFFUSE FUNCTIONS
$Elements References
$-------- ----------
$Li - Ar: R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72,
$ 650 (1980).
$K - Ca: J-P. Blaudeau, M. P. McGrath, L.A. Curtiss
$ and L. Radom, J. Chem. Phys. 107, 5016
$ (1997).
$Ga - Kr: L. A. Curtiss, M. P. McGrath, J-P. Blandeau, N. E. Davis, R. C.
$ Binning, Jr., L. Radom, J. Chem. Phys. 103, 6104 (1995)
$
a 1
$ HYDROGEN (5s) -> [3s]
$ HYDROGEN (1p)
$ S-TYPE FUNCTIONS
5 3 0
33.8650000 0.02549380 0.00000000 0.00000000
5.0947900 0.19037300 0.00000000 0.00000000
1.1587900 0.85216100 0.00000000 0.00000000
0.3258400 0.00000000 1.00000000 0.00000000
0.1027410 0.00000000 0.00000000 1.00000000
a 2
$ HELIUM (5s) -> [3s]
$ HELIUM (1p)
$ S-TYPE FUNCTIONS
5 3 0
98.1243000 0.02874520 0.00000000 0.00000000
14.7689000 0.20806100 0.00000000 0.00000000
3.3188300 0.83763500 0.00000000 0.00000000
0.8740470 0.00000000 1.00000000 0.00000000
0.2445640 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
1 1 0
0.7500000 1.00000000
a 3
$ LITHIUM (11s,5p) -> [4s,3p]
$ LITHIUM (1d)
$ S-TYPE FUNCTIONS
11 4 0
900.4600000 0.00228704 0.00000000 0.00000000 0.00000000
134.4330000 0.01763500 0.00000000 0.00000000 0.00000000
30.4365000 0.08734340 0.00000000 0.00000000 0.00000000
8.6263900 0.28097700 0.00000000 0.00000000 0.00000000
2.4833200 0.65874100 0.00000000 0.00000000 0.00000000
0.3031790 0.11871200 0.00000000 0.00000000 0.00000000
4.8689000 0.00000000 0.09332930 0.00000000 0.00000000
0.8569240 0.00000000 0.94304500 0.00000000 0.00000000
0.2432270 0.00000000 -0.00279827 0.00000000 0.00000000
0.0635070 0.00000000 0.00000000 1.00000000 0.00000000
0.0243683 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
4.8689000 0.03276610 0.00000000 0.00000000
0.8569240 0.15979200 0.00000000 0.00000000
0.2432270 0.88566700 0.00000000 0.00000000
0.0635070 0.00000000 1.00000000 0.00000000
0.0243683 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.2000000 1.00000000
a 4
$ BERYLLIUM (11s,5p) -> [4s,3p]
$ BERYLLIUM (1d)
$ S-TYPE FUNCTIONS
11 4 0
1682.8000000 0.00228574 0.00000000 0.00000000 0.00000000
251.7150000 0.01759380 0.00000000 0.00000000 0.00000000
57.4116000 0.08633150 0.00000000 0.00000000 0.00000000
16.5171000 0.28183500 0.00000000 0.00000000 0.00000000
4.8536400 0.64059400 0.00000000 0.00000000 0.00000000
0.6268630 0.14446700 0.00000000 0.00000000 0.00000000
8.3093800 0.00000000 0.10862100 0.00000000 0.00000000
1.7407500 0.00000000 0.92730100 0.00000000 0.00000000
0.4858160 0.00000000 -0.00297169 0.00000000 0.00000000
0.1636130 0.00000000 0.00000000 1.00000000 0.00000000
0.0567285 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
8.3093800 0.03613440 0.00000000 0.00000000
1.7407500 0.21695800 0.00000000 0.00000000
0.4858160 0.84183900 0.00000000 0.00000000
0.1636130 0.00000000 1.00000000 0.00000000
0.0567285 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.2550000 1.00000000
a 5
$ BORON (11s,5p) -> [4s,3p]
$ BORON (1d)
$ S-TYPE FUNCTIONS
11 4 0
2858.8900000 0.00215375 0.00000000 0.00000000 0.00000000
428.1400000 0.01658230 0.00000000 0.00000000 0.00000000
97.5282000 0.08218700 0.00000000 0.00000000 0.00000000
27.9693000 0.27661800 0.00000000 0.00000000 0.00000000
8.2157700 0.62931600 0.00000000 0.00000000 0.00000000
1.1127800 0.17377000 0.00000000 0.00000000 0.00000000
13.2415000 0.00000000 0.11744300 0.00000000 0.00000000
3.0016600 0.00000000 0.91800200 0.00000000 0.00000000
0.9128560 0.00000000 -0.00265105 0.00000000 0.00000000
0.3154540 0.00000000 0.00000000 1.00000000 0.00000000
0.0988563 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
13.2415000 0.04181000 0.00000000 0.00000000
3.0016600 0.23657500 0.00000000 0.00000000
0.9128560 0.81621400 0.00000000 0.00000000
0.3154540 0.00000000 1.00000000 0.00000000
0.0988563 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.4010000 1.00000000
a 6
$ CARBON (11s,5p) -> [4s,3p]
$ CARBON (1d)
$ S-TYPE FUNCTIONS
11 4 0
4563.2400000 0.00196665 0.00000000 0.00000000 0.00000000
682.0240000 0.01523060 0.00000000 0.00000000 0.00000000
154.9730000 0.07612690 0.00000000 0.00000000 0.00000000
44.4553000 0.26080100 0.00000000 0.00000000 0.00000000
13.0290000 0.61646200 0.00000000 0.00000000 0.00000000
1.8277300 0.22100600 0.00000000 0.00000000 0.00000000
20.9642000 0.00000000 0.11466000 0.00000000 0.00000000
4.8033100 0.00000000 0.91999900 0.00000000 0.00000000
1.4593300 0.00000000 -0.00303068 0.00000000 0.00000000
0.4834560 0.00000000 0.00000000 1.00000000 0.00000000
0.1455850 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
20.9642000 0.04024870 0.00000000 0.00000000
4.8033100 0.23759400 0.00000000 0.00000000
1.4593300 0.81585400 0.00000000 0.00000000
0.4834560 0.00000000 1.00000000 0.00000000
0.1455850 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.6260000 1.00000000
a 7
$ NITROGEN (11s,5p) -> [4s,3p]
$ NITROGEN (1d)
$ S-TYPE FUNCTIONS
11 4 0
6293.4800000 0.00196979 0.00000000 0.00000000 0.00000000
949.0440000 0.01496130 0.00000000 0.00000000 0.00000000
218.7760000 0.07350060 0.00000000 0.00000000 0.00000000
63.6916000 0.24893700 0.00000000 0.00000000 0.00000000
18.8282000 0.60246000 0.00000000 0.00000000 0.00000000
2.7202300 0.25620200 0.00000000 0.00000000 0.00000000
30.6331000 0.00000000 0.11190600 0.00000000 0.00000000
7.0261400 0.00000000 0.92166600 0.00000000 0.00000000
2.1120500 0.00000000 -0.00256919 0.00000000 0.00000000
0.6840090 0.00000000 0.00000000 1.00000000 0.00000000
0.2008780 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
30.6331000 0.03831190 0.00000000 0.00000000
7.0261400 0.23740300 0.00000000 0.00000000
2.1120500 0.81759200 0.00000000 0.00000000
0.6840090 0.00000000 1.00000000 0.00000000
0.2008780 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.9130000 1.00000000
a 8
$ OXYGEN (11s,5p) -> [4s,3p]
$ OXYGEN (1d)
$ S-TYPE FUNCTIONS
11 4 0
8588.5000000 0.00189515 0.00000000 0.00000000 0.00000000
1297.2300000 0.01438590 0.00000000 0.00000000 0.00000000
299.2960000 0.07073200 0.00000000 0.00000000 0.00000000
87.3771000 0.24000100 0.00000000 0.00000000 0.00000000
25.6789000 0.59479700 0.00000000 0.00000000 0.00000000
3.7400400 0.28080200 0.00000000 0.00000000 0.00000000
42.1175000 0.00000000 0.11388900 0.00000000 0.00000000
9.6283700 0.00000000 0.92081100 0.00000000 0.00000000
2.8533200 0.00000000 -0.00327447 0.00000000 0.00000000
0.9056610 0.00000000 0.00000000 1.00000000 0.00000000
0.2556110 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
42.1175000 0.03651140 0.00000000 0.00000000
9.6283700 0.23715300 0.00000000 0.00000000
2.8533200 0.81970200 0.00000000 0.00000000
0.9056610 0.00000000 1.00000000 0.00000000
0.2556110 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
1.2920000 1.00000000
a 9
$ FLUORINE (11s,5p) -> [4s,3p]
$ FLUORINE (1d)
$ S-TYPE FUNCTIONS
11 4 0
11427.1000000 0.00180093 0.00000000 0.00000000 0.00000000
1722.3500000 0.01374190 0.00000000 0.00000000 0.00000000
395.7460000 0.06813340 0.00000000 0.00000000 0.00000000
115.1390000 0.23332500 0.00000000 0.00000000 0.00000000
33.6026000 0.58908600 0.00000000 0.00000000 0.00000000
4.9190100 0.29950500 0.00000000 0.00000000 0.00000000
55.4441000 0.00000000 0.11453600 0.00000000 0.00000000
12.6323000 0.00000000 0.92051200 0.00000000 0.00000000
3.7175600 0.00000000 -0.00337804 0.00000000 0.00000000
1.1654500 0.00000000 0.00000000 1.00000000 0.00000000
0.3218920 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
55.4441000 0.03546090 0.00000000 0.00000000
12.6323000 0.23745100 0.00000000 0.00000000
3.7175600 0.82045800 0.00000000 0.00000000
1.1654500 0.00000000 1.00000000 0.00000000
0.3218920 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
1.7500000 1.00000000
a 10
$ NEON (11s,5p) -> [4s,3p]
$ NEON (1d)
$ S-TYPE FUNCTIONS
11 4 0
13995.7000000 0.00183276 0.00000000 0.00000000 0.00000000
2117.1000000 0.01388270 0.00000000 0.00000000 0.00000000
490.4250000 0.06806870 0.00000000 0.00000000 0.00000000
143.8330000 0.23132800 0.00000000 0.00000000 0.00000000
41.9265000 0.58589000 0.00000000 0.00000000 0.00000000
6.1568400 0.30588300 0.00000000 0.00000000 0.00000000
69.1211000 0.00000000 0.01191490 0.00000000 0.00000000
15.8350000 0.00000000 0.91737500 0.00000000 0.00000000
4.6732600 0.00000000 -0.00405839 0.00000000 0.00000000
1.4575600 0.00000000 0.00000000 1.00000000 0.00000000
0.3970570 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
5 3 0
69.1211000 0.03565740 0.00000000 0.00000000
15.8350000 0.23947700 0.00000000 0.00000000
4.6732600 0.81846100 0.00000000 0.00000000
1.4575600 0.00000000 1.00000000 0.00000000
0.3970570 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
2.3040000 1.00000000
a 11
$ SODIUM (12s,9p) -> [6s,5p]
$ SODIUM (1d)
$ S-TYPE FUNCTIONS
13 6 0
36166.4000000 0.00103200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
5372.5800000 0.00807100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1213.2100000 0.04212900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
339.6230000 0.16978900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
109.5530000 0.51462100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38.7773000 0.37981700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
38.7773000 0.00000000 0.37476200 0.00000000 0.00000000 0.00000000 0.00000000
14.5759000 0.00000000 0.57576900 0.00000000 0.00000000 0.00000000 0.00000000
5.2699300 0.00000000 0.11293300 0.00000000 0.00000000 0.00000000 0.00000000
1.8277700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.6199480 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0572400 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0240480 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
144.6450000 0.01148500 0.00000000 0.00000000 0.00000000 0.00000000
33.9074000 0.08238300 0.00000000 0.00000000 0.00000000 0.00000000
10.6285000 0.31965800 0.00000000 0.00000000 0.00000000 0.00000000
3.8238900 0.70129500 0.00000000 0.00000000 0.00000000 0.00000000
1.4442900 0.00000000 0.63850600 0.00000000 0.00000000 0.00000000
0.5526210 0.00000000 0.42536500 0.00000000 0.00000000 0.00000000
0.1887200 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0465010 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0162850 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.1750000 1.00000000
a 12
$ MAGNESIUM (12s,9p) -> [6s,5p]
$ MAGNESIUM (1d)
$ S-TYPE FUNCTIONS
13 6 0
43866.5000000 0.00091800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
6605.3700000 0.00704700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1513.2600000 0.03594100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
432.3170000 0.14146100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
142.1490000 0.42676400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51.3983000 0.49797500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
51.3983000 0.00000000 0.25135500 0.00000000 0.00000000 0.00000000 0.00000000
19.9196000 0.00000000 0.61867100 0.00000000 0.00000000 0.00000000 0.00000000
8.0247400 0.00000000 0.18841700 0.00000000 0.00000000 0.00000000 0.00000000
2.5081700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.8715310 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1081880 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0401300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
193.8540000 0.01018800 0.00000000 0.00000000 0.00000000 0.00000000
45.4420000 0.07536000 0.00000000 0.00000000 0.00000000 0.00000000
14.1864000 0.30741900 0.00000000 0.00000000 0.00000000 0.00000000
5.0575100 0.71757500 0.00000000 0.00000000 0.00000000 0.00000000
1.8886100 0.00000000 0.66733900 0.00000000 0.00000000 0.00000000
0.7226520 0.00000000 0.39464900 0.00000000 0.00000000 0.00000000
0.2364170 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.0933580 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0348090 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.1750000 1.00000000
a 13
$ ALUMINUM (12s,9p) -> [6s,5p]
$ ALUMINUM (1d)
$ S-TYPE FUNCTIONS
13 6 0
54866.4890000 0.00083900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
8211.7665000 0.00652700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1866.1761000 0.03366600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
531.1293400 0.13290200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
175.1179700 0.40126600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
64.0055000 0.53133800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
64.0055000 0.00000000 0.20230500 0.00000000 0.00000000 0.00000000 0.00000000
25.2925070 0.00000000 0.62479000 0.00000000 0.00000000 0.00000000 0.00000000
10.5349100 0.00000000 0.22743900 0.00000000 0.00000000 0.00000000 0.00000000
3.2067110 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.1525550 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1766780 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.6523700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
259.2836200 0.00944800 0.00000000 0.00000000 0.00000000 0.00000000
61.0768700 0.07097400 0.00000000 0.00000000 0.00000000 0.00000000
19.3032370 0.29563600 0.00000000 0.00000000 0.00000000 0.00000000
7.0108820 0.72821900 0.00000000 0.00000000 0.00000000 0.00000000
2.6738650 0.00000000 0.64446700 0.00000000 0.00000000 0.00000000
1.0365960 0.00000000 0.41741300 0.00000000 0.00000000 0.00000000
0.3168190 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1142570 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0413970 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.3250000 1.00000000
a 14
$ SILICON (12s,9p) -> [6s,5p]
$ SILICON (1d)
$ S-TYPE FUNCTIONS
13 6 0
69379.2300000 0.00075700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
10354.9400000 0.00593200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2333.8796000 0.03108800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
657.1429500 0.12496700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
214.3011300 0.38689700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
77.6291680 0.55488800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
77.6291680 0.00000000 0.17788100 0.00000000 0.00000000 0.00000000 0.00000000
30.6308070 0.00000000 0.62776500 0.00000000 0.00000000 0.00000000 0.00000000
12.8012950 0.00000000 0.24762300 0.00000000 0.00000000 0.00000000 0.00000000
3.9268660 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.4523430 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2562340 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0942790 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
335.4831900 0.00886600 0.00000000 0.00000000 0.00000000 0.00000000
78.9003660 0.06829900 0.00000000 0.00000000 0.00000000 0.00000000
24.9881500 0.29095800 0.00000000 0.00000000 0.00000000 0.00000000
9.2197110 0.73211700 0.00000000 0.00000000 0.00000000 0.00000000
3.6211400 0.00000000 0.61987900 0.00000000 0.00000000 0.00000000
1.4513100 0.00000000 0.43914800 0.00000000 0.00000000 0.00000000
0.5049770 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.1863170 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0654320 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.4500000 1.00000000
a 15
$ PHOSPHORUS (12s,9p) -> [6s,5p]
$ PHOSPHORUS (1d)
$ S-TYPE FUNCTIONS
13 6 0
77492.4000000 0.00078100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
11605.8000000 0.00606800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
2645.9600000 0.03116000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
7549.7600000 0.12343100 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
248.7550000 0.37820900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
91.1565000 0.56326200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
91.1565000 0.00000000 0.16025500 0.00000000 0.00000000 0.00000000 0.00000000
36.2257000 0.00000000 0.62764700 0.00000000 0.00000000 0.00000000 0.00000000
15.2113000 0.00000000 0.26384900 0.00000000 0.00000000 0.00000000 0.00000000
4.7941700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
1.8079300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3568160 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1147830 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
384.8430000 0.00920600 0.00000000 0.00000000 0.00000000 0.00000000
90.5521000 0.06987400 0.00000000 0.00000000 0.00000000 0.00000000
29.1339000 0.29247000 0.00000000 0.00000000 0.00000000 0.00000000
10.8862000 0.72810300 0.00000000 0.00000000 0.00000000 0.00000000
4.3525900 0.00000000 0.62834900 0.00000000 0.00000000 0.00000000
1.7770600 0.00000000 0.42804400 0.00000000 0.00000000 0.00000000
0.6970050 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2535320 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0684930 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.5500000 1.00000000
a 16
$ SULFUR (12s,9p) -> [6s,5p]
$ SULFUR (1d)
$ S-TYPE FUNCTIONS
13 6 0
93413.4000000 0.00074300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
13961.7000000 0.00579300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3169.9100000 0.02995400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
902.4560000 0.11902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
297.1580000 0.36843200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
108.7020000 0.57729900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
108.7020000 0.00000000 0.14318600 0.00000000 0.00000000 0.00000000 0.00000000
43.1553000 0.00000000 0.62446500 0.00000000 0.00000000 0.00000000 0.00000000
18.1079000 0.00000000 0.28336600 0.00000000 0.00000000 0.00000000 0.00000000
5.5600900 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.1318300 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4204030 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1360450 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
9 5 0
495.0400000 0.00830900 0.00000000 0.00000000 0.00000000 0.00000000
117.2210000 0.06402400 0.00000000 0.00000000 0.00000000 0.00000000
37.7749000 0.27761400 0.00000000 0.00000000 0.00000000 0.00000000
14.0584000 0.74507600 0.00000000 0.00000000 0.00000000 0.00000000
5.5657400 0.00000000 0.61371200 0.00000000 0.00000000 0.00000000
2.2629700 0.00000000 0.44381800 0.00000000 0.00000000 0.00000000
0.8079940 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.2774600 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.0771410 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.6500000 1.00000000
a 17
$ CHLORINE (12s,9p) -> [6s,5p]
$ CHLORINE (1d)
$ S-TYPE FUNCTIONS
13 6 0
105819.0000000 0.00073800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
15872.0000000 0.00571800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
3619.6500000 0.02949500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1030.8000000 0.11728600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
339.9080000 0.36294900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
124.5380000 0.58414900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
124.5380000 0.00000000 0.13417700 0.00000000 0.00000000 0.00000000 0.00000000
49.5135000 0.00000000 0.62425000 0.00000000 0.00000000 0.00000000 0.00000000
20.8056000 0.00000000 0.29175600 0.00000000 0.00000000 0.00000000 0.00000000
6.5834600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.5646800 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.5597630 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1832730 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
10 5 0
589.7760000 0.00239100 0.00000000 0.00000000 0.00000000 0.00000000
139.8490000 0.01850400 0.00000000 0.00000000 0.00000000 0.00000000
45.1413000 0.08137700 0.00000000 0.00000000 0.00000000 0.00000000
16.8733000 0.22155200 0.00000000 0.00000000 0.00000000 0.00000000
6.7411000 0.77256900 0.00000000 0.00000000 0.00000000 0.00000000
6.7411000 0.00000000 -1.57224400 0.00000000 0.00000000 0.00000000
2.7715200 0.00000000 0.99238900 0.00000000 0.00000000 0.00000000
1.0238700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.3813680 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1094370 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.7500000 1.00000000
a 18
$ ARGON (12s,9p) -> [6s,5p]
$ ARGON (1d)
$ S-TYPE FUNCTIONS
13 6 0
118022.3800000 0.00074700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
17683.5410000 0.00579000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
4027.7657000 0.02991900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1145.3977000 0.11920600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
377.1637500 0.36902800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
138.1596900 0.57645900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
138.1596900 0.00000000 0.14392700 0.00000000 0.00000000 0.00000000 0.00000000
54.9891170 0.00000000 0.62293800 0.00000000 0.00000000 0.00000000 0.00000000
23.1706670 0.00000000 0.28396400 0.00000000 0.00000000 0.00000000 0.00000000
7.3778600 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
2.9236880 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.6504050 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.2328250 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
10 5 0
663.0620100 0.00308200 0.00000000 0.00000000 0.00000000 0.00000000
157.0928100 0.02416500 0.00000000 0.00000000 0.00000000 0.00000000
50.2311000 0.10822300 0.00000000 0.00000000 0.00000000 0.00000000
18.6353450 0.29419200 0.00000000 0.00000000 0.00000000 0.00000000
7.4465370 0.68786200 0.00000000 0.00000000 0.00000000 0.00000000
7.4465370 0.00000000 -0.12144820 0.00000000 0.00000000 0.00000000
3.0956980 0.00000000 0.16323700 0.00000000 0.00000000 0.00000000
1.1064630 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.4156010 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.1454490 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
1 1 0
0.8500000 1.00000000
a 35
$ BROMINE (14s,12p,5d) -> [8s,7p,3d]
$ S-TYPE FUNCTIONS
15 8 0
439700.000000 0.00081300 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
66030.000000 0.00628500 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
15140.000000 0.03192000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
4317.000000 0.12880000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
1414.000000 0.39460000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
523.900000 0.54130000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
523.900000 0.00000000 0.18310000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
207.700000 0.00000000 0.61760000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
86.540000 0.00000000 0.25380000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
30.520000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000
12.980000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000 0.00000000
4.412000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.000000 0.00000000
1.862000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000 0.00000000
0.393200 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000 0.00000000
0.140000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 1.00000000
$ P-TYPE FUNCTIONS
13 7 0
2957.000000 0.02226000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
700.300000 0.18020000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
224.600000 0.86240000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
82.590000 0.00000000 0.34400000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
33.190000 0.00000000 0.50710000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
14.200000 0.00000000 0.25900000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000
14.200000 0.00000000 0.00000000 0.07965000 0.00000000 0.00000000 0.00000000
0.000000
7.438000 0.00000000 0.00000000 0.37340000 0.00000000 0.00000000 0.00000000
0.000000
3.526000 0.00000000 0.00000000 0.60490000 0.00000000 0.00000000 0.00000000
0.000000
1.595000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000
0.846200 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.000000
0.318600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000
0.109600 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000
$ D-TYPE FUNCTIONS
6 3 0
134.8000000 0.01831000 0.00000000 0.00000000
36.3900000 0.13500000 0.00000000 0.00000000
12.1600000 0.42610000 0.00000000 0.00000000
4.3410000 0.60430000 0.00000000 0.00000000
1.5350000 0.00000000 1.00000000 0.00000000
0.4510000 0.00000000 0.00000000 1.00000000
a 53
$ IODINE (15s,12p,6d) -> [10s,9p,4d]
$ S-TYPE FUNCTIONS
15 10 0
444750.000000 0.00089000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
66127.000000 0.00694000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
14815.000000 0.03609000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
4144.900000 0.13568000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
1361.200000 0.33878000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
508.440000 0.00000000 0.43659000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
209.590000 0.00000000 0.18375000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
81.959000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
36.805000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
13.495000 0.00000000 0.00000000 0.00000000 0.00000000 1.000000000 0.00000000
0.000000 0.00000000 0.00000000 0.00000000
6.885900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000 0.00000000 0.00000000 0.00000000
2.552000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000 0.00000000 0.00000000 0.00000000
1.208800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 1.00000000 0.00000000 0.00000000
0.273400 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 1.00000000 0.00000000
0.100900 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000 1.00000000
$ P-TYPE FUNCTIONS
12 9 0
2953.600000 0.01221000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
712.610000 0.08587000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
236.710000 0.29493000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
92.631000 0.47849000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
39.732000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
17.273000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
7.957000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
0.000000 0.00000000 0.00000000
3.152900 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.000000 0.00000000 0.00000000
1.332800 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
0.000000 0.00000000 0.00000000
0.494700 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
1.000000 0.00000000 0.00000000
0.216000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 1.00000000 0.00000000
0.082930 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000
0.000000 0.00000000 1.00000000
$ D-TYPE FUNCTIONS
7 5 0
261.950000 0.03144000 0.00000000 0.00000000 0.00000000 0.00000000
76.734000 0.19028000 0.00000000 0.00000000 0.00000000 0.00000000
27.551000 0.47247000 0.00000000 0.00000000 0.00000000 0.00000000
10.606000 0.00000000 1.00000000 0.00000000 0.00000000 0.00000000
3.421700 0.00000000 0.00000000 1.00000000 0.00000000 0.00000000
1.137000 0.00000000 0.00000000 0.00000000 1.00000000 0.00000000
0.302000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000
|
